4-tert-butylsulfanyl-2-methyl-5-methylsulfonyl-benzoic acid

Systemtic Name: 4-tert-butylsulfanyl-2-methyl-5-methylsulfonyl-benzoic acid Openeye Name: 4-tert-butylsulfanyl-2-methyl-5-methylsulfonyl-benzoic acid CAS Name: 4-(tert-butylthio)-2-methyl-5-methylsulfonylbenzoic acid IUPAC Name: 4-tert-butylsulfanyl-2-methyl-5-methylsulfonylbenzoic acid Traditional Name: 4-(tert-butylthio)-5-mesyl-2-methyl-benzoic acid Formula: C13H18O4S2 MolecularWeight: 302.40962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)SC(C)(C)C

InChI

InChI=1S/C13H18O4S2/c1-8-6-10(18-13(2,3)4)11(19(5,16)17)7-9(8)12(14)15/h6-7H,1-5H3,(H,14,15)